SCHEMBL20132892

SCHEMBL20132892

Cn1c(Nc2cccc(C(=O)O)c2)nc2cc(C(F)(F)F)c(C#N)cc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC11 Q96DB2 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SYK P43405 1/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ KIF11 P52732 3/20 0.42
▸ PDE8A O60658 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ RHOA P61586 1/20 0.40
▸ BRAF P15056 2/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20096421 0.90 HDAC11 (0.51) HDAC11HDAC6MEN1KMT2AKIF11
SCHEMBL20096420 0.90 HDAC11 (0.64) HDAC11HDAC6SCN9ABRAFRAF1
SCHEMBL20096820 0.90 HDAC11 (0.44) HDAC11CSNK2A1HDAC6L3MBTL1AKR1C3
SCHEMBL20132833 0.87 KIF11 (0.46) HDAC11CSNK2A1KIF11PDE8APDE4A
SCHEMBL29754097 0.87 HDAC11 (0.53) HDAC11CSNK2A1HDAC6MEN1KMT2A
SCHEMBL20096570 0.87 HDAC11 (0.53) HDAC11CSNK2A1HDAC6MEN1KMT2A
SCHEMBL20096579 0.87 HDAC11 (0.67) HDAC11CSNK2A1HDAC6SCN9ABRAF
SCHEMBL29624663 0.87 HDAC11 (0.67) HDAC11CSNK2A1HDAC6SCN9ABRAF
SCHEMBL20096684 0.81 HDAC11 (0.53) HDAC11HDAC6KIF11SCN9A
SCHEMBL20096557 0.81 KIF11 (0.45) HDAC11MEN1KMT2AKIF11SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS Valo Health, LLC 2019-03-21 — — US disclosed
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS VALO HEALTH, INC. 2019-03-21 — — US disclosed
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS VALO HEALTH, INC. 2019-03-21 — — US disclosed
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-05-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885CSNK2A1 476/4885HDAC6 6/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885CSNK2A1 476/4885HDAC6 6/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885CSNK2A1 476/4885HDAC6 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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